5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide

C25H19N7O — CID 51030922

IUPAC5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1
InChIInChI=1S/C25H19N7O/c26-22(33)25-28-13-17(14-29-25)23-31-20-11-6-10-19(16-7-2-1-3-8-16)21(20)24(32-23)30-15-18-9-4-5-12-27-18/h1-14H,15H2,(H2,26,33)(H,30,31,32)
InChIKeyGYEMDCYWSZCBGX-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.86
Rot. Bonds6

About 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide (PubChem CID 51030922) has the molecular formula C25H19N7O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
PubChem CID51030922
Molecular FormulaC25H19N7O
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1
InChIInChI=1S/C25H19N7O/c26-22(33)25-28-13-17(14-29-25)23-31-20-11-6-10-19(16-7-2-1-3-8-16)21(20)24(32-23)30-15-18-9-4-5-12-27-18/h1-14H,15H2,(H2,26,33)(H,30,31,32)
InChIKeyGYEMDCYWSZCBGX-UHFFFAOYSA-N
XLogP3.86
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Zipalertinib
CID 117918742
Sri-9439
CID 446752
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
VX-984
CID 72188357
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
CID 6456587
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
1-Phenyl-3-(2-(pyridin-3-yl)quinazolin-4-yl)urea
CID 10688595
1-Phenyl-3-(2-(pyridin-2-yl)quinazolin-4-yl)urea
CID 10712256

Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide (CID 51030922) is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide is NC(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1.
What is the InChIKey of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
The InChIKey is GYEMDCYWSZCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O/c26-22(33)25-28-13-17(14-29-25)23-31-20-11-6-10-19(16-7-2-1-3-8-16)21(20)24(32-23)30-15-18-9-4-5-12-27-18/h1-14H,15H2,(H2,26,33)(H,30,31,32).
What are the key properties of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 51030922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).